N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide

C19H24N4O3 — CID 110202492

IUPACN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-5-2-4-14(10-16)6-7-18(25)22-17-12-23(11-15(17)13-24)19-20-8-3-9-21-19/h2-5,8-10,15,17,24H,6-7,11-13H2,1H3,(H,22,25)/t15-,17+/m0/s1
InChIKeyGOPNSJYWRYTNNO-DOTOQJQBSA-N
MW356.43 g/mol
LogP1.03
Rot. Bonds7

About N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide

N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide (PubChem CID 110202492) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
PubChem CID110202492
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC NameN-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide
SMILESCOc1cccc(CCC(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)c1
InChIInChI=1S/C19H24N4O3/c1-26-16-5-2-4-14(10-16)6-7-18(25)22-17-12-23(11-15(17)13-24)19-20-8-3-9-21-19/h2-5,8-10,15,17,24H,6-7,11-13H2,1H3,(H,22,25)/t15-,17+/m0/s1
InChIKeyGOPNSJYWRYTNNO-DOTOQJQBSA-N
XLogP1.03
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S,4R)-4-[(dimethylamino)methyl]-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-[(3-methoxyphenyl)methyl]urea
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3-(3-methoxyphenyl)-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]propanamide
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N-[2-(hydroxymethyl)cyclohexyl]-2-(3-methoxyphenyl)acetamide
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methyl 4-[3-(3-methoxyphenyl)propanoylamino]piperidine-1-carboxylate
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N-(1-acetylpiperidin-4-yl)-3-(3-methoxyphenyl)propanamide
CID 46662162
3-(3-methoxyphenyl)-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428341
3-(3-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 31100473
N-[2-(3-methoxyphenyl)ethyl]-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 108985441
N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)-3-(3-methoxyphenyl)propanamide
CID 110719748

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide?
The IUPAC name of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide (CID 110202492) is N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide.
What is the SMILES notation for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide?
The canonical SMILES for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide is COc1cccc(CCC(=O)N[C@@H]2CN(c3ncccn3)C[C@H]2CO)c1.
What is the InChIKey of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide?
The InChIKey is GOPNSJYWRYTNNO-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-26-16-5-2-4-14(10-16)6-7-18(25)22-17-12-23(11-15(17)13-24)19-20-8-3-9-21-19/h2-5,8-10,15,17,24H,6-7,11-13H2,1H3,(H,22,25)/t15-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide?
N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide has a molecular weight of 356.43 g/mol, XLogP of 1.03, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(hydroxymethyl)-1-pyrimidin-2-ylpyrrolidin-3-yl]-3-(3-methoxyphenyl)propanamide is sourced from PubChem (CID 110202492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).